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Also known as: 115964-29-9, Tosufloxacin tosilate, Tosufloxacin tosilate [jan], Ozex, 100490-94-6, T 3262

Molecular Formula

C₂₆H₂₃F₃N₄O₆S

Molecular Weight

576.5 g/mol

InChI Key

CSSQVOKOWWIUCX-UHFFFAOYSA-N

FDA UNII

NO6NM634EH

1 2D Structure

Tosufloxacin Tosylate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid

2.1.2 InChI

InChI=1S/C19H15F3N4O3.C7H8O3S/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10)

2.1.3 InChI Key

CSSQVOKOWWIUCX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F

2.2 Other Identifiers

2.2.1 UNII

NO6NM634EH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid

2. 7-(3-aminopyrrolin-1-yl)-1-(2,4-diflurophenyl)-1.4-dihydro-6-fluoro-4-oxo-1,8-napthyridine-3-carboxylic Acid

3. A 60969

4. A 61827

5. A-60969

6. A-61827

7. A-64730

8. T 3262

9. T-3262

10. Tosufloxacin

11. Tosufloxacin Citric Anhydride

12. Tosufloxacin Tosilate

13. Tosufloxacin, 4-toluene Sulfonate

2.3.2 Depositor-Supplied Synonyms

1. 115964-29-9

2. Tosufloxacin Tosilate

3. Tosufloxacin Tosilate [jan]

4. Ozex

5. 100490-94-6

6. T 3262

7. No6nm634eh

8. Tosufloxacin Toluenesulfonic Acid

9. Chebi:77605

10. 115964-29-9 (tosylate)

11. Tosufloxacin Toluenesulfonate Hydrate

12. 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic Acid;4-methylbenzenesulfonic Acid

13. T-3262

14. Dsstox_cid_27820

15. Dsstox_rid_82583

16. Dsstox_gsid_47842

17. 1,8-naphthyridine-3-carboxylic Acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate

18. 1,8-naphthyridine-3-carboxylic Acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate (1:1)

19. 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Tosylate

20. 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid Tosylate

21. Cas-115964-29-9

22. Ncgc00167536-01

23. Tosufloxacin 100 Microg/ml In Acetonitrile

24. Unii-no6nm634eh

25. A 64730

26. Tosufloxacin Monotosylate

27. Tflx P-toluenesulfonate

28. Rac-tosufloxacin Tosylate

29. (rs)-tosufloxacin Tosylate

30. (+-)-tosufloxacin Tosylate

31. Racemic Tosufloxacin Tosylate

32. 1,8-naphthyridine-3-carboxylic Acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, Mono(4-methylbenzenesulfonate)

33. Mls001401369

34. Schembl676101

35. Tosufloxacin P-toluenesulfonate

36. Chembl104270

37. Dtxsid8047842

38. Hms2051c14

39. Hms2232a12

40. Hms3374f01

41. Hms3393c14

42. Bcp07014

43. Tox21_112533

44. Tosufloxacin Tosilate [mart.]

45. Tosufloxacin Tosilate [who-dd]

46. Tox21_112533_1

47. Ccg-100872

48. Nc00122

49. Ncgc00167536-03

50. 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic Acid 4-methylbenzenesulfonate

51. As-13355

52. Smr000469195

53. Tosufloxacin Toluenesulfonate [mi]

54. Ft-0675303

55. T2506

56. F75633

57. T-3940

58. Tosufloxacin Toluenesulfonate, (+/-)-

59. 490t366

60. A-64730

61. A908843

62. J-003351

63. Tosufloxacin, Antibiotic For Culture Media Use Only

64. Q27147207

65. Tosufloxacin Tosylate, Vetranal(tm), Analytical Standard

66. 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid 4-methylbenzenesulfonic Acid Salt

67. 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid Compound With 4-methylbenzenesulfonic Acid (1:1)

68. Rac-1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium 4-methylbenzenesulfonate

69. Rac-7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid 4-methylbenzenesulfonate

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₃F₃N₄O₆S
Molecular Weight	576.5 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	4
Exact Mass	576.12904013 g/mol
Monoisotopic Mass	576.12904013 g/mol
Topological Polar Surface Area	163 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	915
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2